SCHEMBL7518683

SCHEMBL7518683

COc1ccc(C(=O)O)cc1S(=O)(=O)NCCc1ccc(C(C)C)cc1

nearest known ligand 0.77

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
F10 P00742 4/20 0.77
MAPT P10636 4/20 0.65
PKM P14618 2/20 0.62
POLB P06746 1/20 0.62
KDM4E B2RXH2 1/20 0.60
NPSR1 Q6W5P4 1/20 0.60
PRSS1 P07477 2/20 0.57
PRSS2 P07478 2/20 0.57
PRSS3 P35030 2/20 0.57
ALDH1A1 P00352 2/20 0.56
SMN1; SMN2 Q16637 2/20 0.56
HTT P42858 1/20 0.55
MEN1 O00255 1/20 0.53
KMT2A Q03164 1/20 0.53
AKR1C3 P42330 1/20 0.52
GAA P10253 1/20 0.50
FABP4 P15090 1/20 0.49
TP53 P04637 2/20 0.48

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL6387684 0.90 F10 (0.83) F10MAPTPKMPOLBKDM4E
SCHEMBL29123955 0.88 MAPT (0.72) F10MAPTPKMPOLBKDM4E
SCHEMBL7516738 0.87 MAPT (0.62) F10MAPTPKMPOLBKDM4E
SCHEMBL11189465 0.87 PKM (0.68) F10MAPTPKMPOLBKDM4E
SCHEMBL11186378 0.86 MAPT (0.67) F10MAPTPKMPOLBKDM4E
SCHEMBL6391914 0.84 MAPT (0.64) F10MAPTPKMPOLBKDM4E
SCHEMBL6386373 0.80 F10 (0.65) F10MAPTPRSS1PRSS2PRSS3
SCHEMBL6568071 0.80 F10 (0.64) F10MAPTPOLBPRSS1PRSS2
SCHEMBL6428782 0.80 MAPT (0.56) F10MAPTPKMPOLBKDM4E
SCHEMBL13543514 0.80 MAPT (0.79) MAPTPKMPOLBKDM4ENPSR1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1174421-A1 3-AMIDINOBENZENESULFONAMIDE DERIVATIVES, MEDICINAL COMPOSITIONS CONTAINING THE SAME AND INTERMEDIATES IN THE PRODUCTION THEREOF Kissei Pharmaceutical Co., Ltd. (JP) 2002-01-23 EP disclosed